data_6mq2_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6mq2 _Structure_validation_residue.Date_analyzed 2019-03-29 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 39.1 t70 . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.853 0.359 . . . . 121.7 110.702 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 m -88.73 -26.85 21.56 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 113.22 0.822 . . . . 93.76 113.22 -175.605 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.4 mt -67.86 -34.8 77.38 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.71 -0.796 . . . . 87.69 111.644 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -62.89 -42.47 99.78 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.018 -0.673 . . . . 97.73 110.932 174.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 48.4 m95 -62.84 -39.58 94.8 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.681 -0.407 . . . . 97.0 111.246 176.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.0 mt -63.41 -45.29 98.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.089 0.471 . . . . 65.01 110.416 179.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.2 t -65.72 -39.59 85.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 O-C-N 121.945 -0.472 . . . . 64.07 110.587 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -62.05 -46.66 88.16 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 121.9 -0.5 . . . . 73.74 111.138 178.02 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.59 -37.23 84.46 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.509 -0.477 . . . . 59.68 111.351 -179.494 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.7 mt -66.63 -38.8 87.68 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.999 -0.68 . . . . 52.64 111.252 177.349 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -66.14 -38.72 88.83 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 120.187 -0.605 . . . . 67.32 110.893 177.346 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.92 -36.79 85.5 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.29 -0.564 . . . . 53.84 111.046 175.758 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.83 -41.55 92.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 120.986 0.422 . . . . 49.39 110.467 176.538 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.06 -42.3 94.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 O-C-N 122.017 -0.427 . . . . 52.72 110.348 177.438 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.0 mt -64.85 -40.66 95.52 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.239 -0.585 . . . . 50.34 111.406 178.752 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.98 -37.78 84.86 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.216 -0.594 . . . . 56.51 111.369 179.254 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.5 mt -69.03 -36.47 77.78 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.082 -0.647 . . . . 47.0 111.153 177.351 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.79 -40.95 94.52 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.307 -0.557 . . . . 67.13 110.892 172.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.32 97.17 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.461 -0.496 . . . . 62.02 111.184 176.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.3 mt -65.36 -39.89 86.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 120.641 -0.424 . . . . 61.76 110.609 179.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.52 -46.02 93.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 O-C-N 121.775 -0.578 . . . . 74.67 110.355 177.136 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -63.66 -28.79 70.15 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.998 -0.439 . . . . 88.86 111.554 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.7 tp -79.18 -36.28 40.53 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 122.292 -0.255 . . . . 95.89 111.474 177.464 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.7 mt -68.0 -39.34 83.24 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.128 -0.629 . . . . 87.39 111.266 177.238 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.0 mtp85 . . . . . 0 C--N 1.331 -0.234 0 O-C-N 122.068 -0.395 . . . . 100.98 110.887 176.091 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.833 0.349 . . . . 113.04 111.039 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.5 m -116.74 -33.38 4.84 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 113.698 0.999 . . . . 102.7 113.698 179.072 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 56.8 mt -65.45 -32.5 74.14 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.027 -0.669 . . . . 104.19 111.454 176.556 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . . . -62.51 -44.49 96.24 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.24 -0.584 . . . . 87.06 110.945 175.42 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -66.89 -34.83 78.64 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.024 -0.67 . . . . 120.54 111.81 176.922 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 54.6 mt -61.32 -46.6 96.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 C-N-CA 120.224 -0.59 . . . . 71.59 110.33 175.765 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 78.4 t -63.12 -41.48 93.0 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 O-C-N 122.053 -0.404 . . . . 70.62 110.562 179.487 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -66.57 -37.99 86.11 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.849 -0.741 . . . . 69.71 111.456 -179.503 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 58.8 mt -68.51 -36.87 79.49 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.147 -0.621 . . . . 58.71 111.14 177.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.8 -36.84 85.61 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 119.674 -0.81 . . . . 59.61 110.963 174.727 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -64.6 -41.11 96.44 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.655 -0.418 . . . . 65.9 111.241 175.572 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 40.5 mt -61.81 -38.67 88.99 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.528 -0.469 . . . . 68.61 111.099 174.825 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 85.1 mt -63.42 -41.57 93.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 120.989 0.423 . . . . 51.48 110.428 177.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 77.8 t -61.02 -43.97 97.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 O-C-N 121.918 -0.489 . . . . 49.85 110.48 176.973 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 62.2 mt -61.69 -42.88 99.52 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.44 -0.504 . . . . 62.8 111.462 178.033 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 84.2 mt -67.41 -36.61 81.62 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.528 -0.469 . . . . 56.78 111.307 -178.446 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.6 mt -68.61 -36.87 79.24 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 119.988 -0.685 . . . . 51.06 111.062 176.091 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 38.2 mt -58.35 -46.53 86.09 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.421 -0.512 . . . . 60.17 110.792 172.602 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.09 93.25 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.528 -0.469 . . . . 65.33 111.331 179.274 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 51.7 mt -63.51 -41.53 92.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 120.968 0.413 . . . . 63.94 110.5 178.293 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.14 -44.64 99.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 121.861 -0.525 . . . . 72.94 110.437 177.165 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -53.59 -48.92 68.77 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.033 0.444 . . . . 96.39 111.149 175.854 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.73 -31.06 67.77 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.596 -0.442 . . . . 87.09 111.949 -176.37 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 mt -71.22 -40.41 71.13 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.199 -0.601 . . . . 94.58 111.183 178.008 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 57.7 mtp85 . . . . . 0 C--N 1.33 -0.248 0 C-N-CA 120.718 -0.393 . . . . 116.62 110.824 176.198 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 55.1 t0 . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 118.048 -0.977 . . . . 122.5 108.627 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' C' C ' 2' ' ' SER . . . . . 0.401 ' O ' ' N ' ' C' ' 5' ' ' TRP . 74.4 m -63.68 -62.1 1.87 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 118.517 -1.273 . . . . 108.89 109.363 178.761 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 3' ' ' LEU . . . . . . . . . . . . . 8.6 mt -43.01 -44.8 4.87 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 117.858 -1.068 . . . . 93.96 111.623 -174.995 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . . . -57.48 -42.65 83.06 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 118.008 -0.996 . . . . 89.63 110.1 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 5' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' C' ' 2' ' ' SER . 37.8 m95 -59.15 -45.52 90.77 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 123.996 0.81 . . . . 95.59 109.315 179.904 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mt -61.09 -41.09 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 O-C-N 124.457 1.098 . . . . 74.94 109.523 -178.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.47 -40.78 90.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 119.43 -0.908 . . . . 69.96 110.301 -177.219 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 8' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -67.04 -41.97 85.62 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 123.921 0.763 . . . . 72.52 111.428 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.68 -38.05 88.17 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.869 -0.732 . . . . 63.26 111.183 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 75.6 mt -66.9 -34.45 77.8 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.236 -0.586 . . . . 57.27 111.547 176.123 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -66.43 -41.3 89.39 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 120.046 -0.662 . . . . 66.87 111.153 176.196 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 37.1 mt -60.79 -40.44 92.63 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 119.964 -0.694 . . . . 60.27 111.06 173.59 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.74 -40.84 90.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-O 120.926 0.394 . . . . 48.99 110.545 178.345 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.2 -43.33 98.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 O-C-N 121.978 -0.451 . . . . 49.24 110.541 177.979 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 35.4 mt -60.39 -45.37 93.8 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 120.484 -0.487 . . . . 70.87 111.113 177.873 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.84 -35.58 80.37 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.274 -0.57 . . . . 51.12 111.308 -178.718 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.18 -37.42 78.16 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.081 -0.647 . . . . 50.73 111.244 177.743 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.72 -43.68 97.54 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 120.272 -0.571 . . . . 64.96 111.008 172.652 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.49 -42.45 92.17 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.51 -0.476 . . . . 68.49 111.158 176.943 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 78.6 mt -64.99 -41.03 91.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 CA-C-O 120.99 0.424 . . . . 62.8 110.643 179.129 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 38.8 t -59.52 -46.92 92.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-O 121.213 0.53 . . . . 71.76 110.249 178.344 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -73.92 -25.03 59.77 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 119.565 -0.854 . . . . 80.45 112.07 -176.925 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 79.8 mt -72.44 -34.08 67.52 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 119.899 -0.72 . . . . 82.59 111.377 172.675 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.29 -36.52 68.99 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.345 -0.542 . . . . 100.44 111.542 175.143 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 116.752 -1.594 . . . . 97.31 109.38 -177.085 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.836 0.351 . . . . 118.9 111.172 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m -88.62 -4.59 58.53 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.985 0.735 . . . . 95.61 112.985 -179.835 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.68 -34.72 78.49 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.258 -0.577 . . . . 98.0 111.321 176.644 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . . . -63.09 -43.6 98.05 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.343 -0.543 . . . . 76.06 111.064 176.302 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -65.61 -36.73 84.57 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.252 -0.579 . . . . 92.87 111.302 177.085 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.56 -44.87 99.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 120.511 -0.475 . . . . 67.41 110.28 177.829 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 81.9 t -65.32 -39.63 85.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 O-C-N 121.975 -0.453 . . . . 66.8 110.522 178.962 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 8' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.98 -45.7 93.71 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 121.909 -0.494 . . . . 65.0 111.131 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.77 -36.16 75.51 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.284 -0.566 . . . . 53.39 111.448 -178.691 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 50.5 mt -66.39 -35.92 81.55 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 119.773 -0.771 . . . . 54.48 111.132 176.032 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -64.79 -43.33 93.55 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 120.92 -0.312 . . . . 72.89 110.948 175.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 27.5 mt -60.81 -37.91 83.56 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.281 -0.568 . . . . 59.4 111.278 174.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 72.4 mt -65.19 -42.04 93.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 120.959 0.409 . . . . 47.91 110.419 179.067 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.3 -43.28 96.26 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 121.972 -0.455 . . . . 45.46 110.365 176.939 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 39.8 mt -61.63 -43.83 98.11 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.126 -0.63 . . . . 58.63 111.432 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.0 -36.13 81.49 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.363 -0.535 . . . . 51.13 111.434 -179.109 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -69.95 -36.59 75.39 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 119.836 -0.746 . . . . 52.88 111.158 178.329 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 22.8 tp -62.95 -39.93 96.14 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.875 -0.73 . . . . 61.38 110.747 172.957 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.58 -42.92 93.58 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.83 -0.348 . . . . 62.94 111.246 174.985 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 74.6 mt -64.24 -40.67 89.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.016 0.436 . . . . 58.06 110.571 178.853 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.44 -46.73 92.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-O 121.191 0.519 . . . . 65.01 110.359 177.112 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -65.81 -36.72 84.28 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.194 -0.603 . . . . 82.35 111.547 -179.444 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.32 -37.12 82.82 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.182 -0.607 . . . . 74.96 111.247 178.295 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 24' ' ' LEU . . . . . . . . . . . . . 88.8 mt -71.73 -27.32 62.92 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.295 -0.562 . . . . 85.8 111.597 176.994 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 -69.01 -53.42 20.63 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 118.353 -0.832 . . . . 112.65 109.292 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.11 -12.82 0.09 OUTLIER Glycine 0 C--N 1.337 0.628 0 O-C-N 124.657 1.223 . . . . 124.2 113.379 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' D' D ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.231 -4.544 0 O-C-N 117.959 -3.083 . . . . 103.58 . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.917 0.389 . . . . 135.42 111.505 . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -83.76 -21.0 32.36 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 112.758 0.651 . . . . 103.78 112.758 179.811 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.86 -36.93 83.46 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.279 -0.569 . . . . 94.94 111.177 179.564 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . . . -62.57 -42.37 99.5 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.302 -0.559 . . . . 87.58 111.001 176.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 5' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -66.92 -35.28 79.63 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.141 -0.624 . . . . 91.58 111.789 177.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 6' ' ' ILE . . . . . . . . . . . . . 52.5 mt -63.26 -45.19 98.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 121.165 0.507 . . . . 68.79 110.218 176.352 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 75.4 t -62.7 -41.0 90.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-O 120.936 0.398 . . . . 70.8 110.488 178.532 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 8' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -63.74 -44.75 92.61 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 121.989 -0.445 . . . . 68.51 111.159 179.757 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 9' ' ' LEU . . . . . . . . . . . . . 86.5 mt -66.75 -36.5 82.59 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.398 -0.521 . . . . 56.63 111.211 -179.907 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 65.8 mt -66.78 -38.1 85.87 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 119.978 -0.689 . . . . 58.97 111.211 176.26 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -64.17 -40.86 97.02 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.448 -0.501 . . . . 78.59 110.971 176.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.84 -34.28 77.45 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 119.84 -0.744 . . . . 67.65 111.704 176.362 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.94 -41.24 92.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 C-N-CA 120.561 -0.456 . . . . 51.09 110.282 173.933 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.93 -43.5 95.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 O-C-N 121.993 -0.442 . . . . 54.2 110.52 176.307 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 80.8 mt -62.8 -42.76 99.85 Favored 'General case' 0 C--O 1.237 0.441 0 O-C-N 121.991 -0.443 . . . . 66.5 111.38 178.893 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.52 -37.13 84.37 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.556 -0.458 . . . . 52.34 111.358 179.646 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 57.9 mt -67.22 -36.94 82.73 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.176 -0.61 . . . . 50.76 111.113 176.34 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 78.5 mt -62.88 -39.43 94.43 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.257 -0.577 . . . . 56.15 111.006 173.872 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.64 98.86 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.453 -0.499 . . . . 56.01 111.232 176.137 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 70.2 mt -63.13 -43.1 98.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-O 120.989 0.423 . . . . 56.41 110.528 178.563 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 21' ' ' VAL . . . . . . . . . . . . . 55.1 t -64.71 -40.97 90.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 O-C-N 121.946 -0.471 . . . . 62.74 110.536 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -64.85 -39.87 94.24 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 121.913 -0.492 . . . . 88.58 111.221 178.986 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.59 -38.72 84.43 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.496 -0.482 . . . . 71.74 111.361 178.39 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 24' ' ' LEU . . . . . . . . . . . . . 75.1 mt -73.2 -29.15 62.61 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.136 -0.626 . . . . 76.94 111.866 -179.573 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' E' E ' 25' ' ' ARG . . . . . . . . . . . . . 25.2 mtp-105 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 117.941 0.337 . . . . 99.6 110.805 177.262 . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 101' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 103' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' E' E ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 39.1 t70 . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.853 0.359 . . . . 121.7 110.702 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 m -88.73 -26.85 21.56 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 113.22 0.822 . . . . 93.76 113.22 -175.605 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.4 mt -67.86 -34.8 77.38 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.71 -0.796 . . . . 87.69 111.644 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -62.89 -42.47 99.78 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.018 -0.673 . . . . 97.73 110.932 174.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' TRP . . . . . 0.438 ' CD1' H111 ' A' ' 101' ' ' C8E . 48.4 m95 -62.84 -39.58 94.8 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.681 -0.407 . . . . 97.0 111.246 176.085 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.0 mt -63.41 -45.29 98.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.089 0.471 . . . . 65.01 110.416 179.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.2 t -65.72 -39.59 85.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 O-C-N 121.945 -0.472 . . . . 64.07 110.587 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -62.05 -46.66 88.16 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 121.9 -0.5 . . . . 73.74 111.138 178.02 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.59 -37.23 84.46 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.509 -0.477 . . . . 59.68 111.351 -179.494 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.7 mt -66.63 -38.8 87.68 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.999 -0.68 . . . . 52.64 111.252 177.349 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -66.14 -38.72 88.83 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 120.187 -0.605 . . . . 67.32 110.893 177.346 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.92 -36.79 85.5 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.29 -0.564 . . . . 53.84 111.046 175.758 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.83 -41.55 92.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 120.986 0.422 . . . . 49.39 110.467 176.538 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.06 -42.3 94.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 O-C-N 122.017 -0.427 . . . . 52.72 110.348 177.438 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.0 mt -64.85 -40.66 95.52 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.239 -0.585 . . . . 50.34 111.406 178.752 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.98 -37.78 84.86 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.216 -0.594 . . . . 56.51 111.369 179.254 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.5 mt -69.03 -36.47 77.78 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.082 -0.647 . . . . 47.0 111.153 177.351 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.79 -40.95 94.52 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.307 -0.557 . . . . 67.13 110.892 172.352 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.32 97.17 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.461 -0.496 . . . . 62.02 111.184 176.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.3 mt -65.36 -39.89 86.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 120.641 -0.424 . . . . 61.76 110.609 179.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.52 -46.02 93.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 O-C-N 121.775 -0.578 . . . . 74.67 110.355 177.136 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -63.66 -28.79 70.15 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.998 -0.439 . . . . 88.86 111.554 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.7 tp -79.18 -36.28 40.53 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 122.292 -0.255 . . . . 95.89 111.474 177.464 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.7 mt -68.0 -39.34 83.24 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.128 -0.629 . . . . 87.39 111.266 177.238 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.0 mtp85 . . . . . 0 C--N 1.331 -0.234 0 O-C-N 122.068 -0.395 . . . . 100.98 110.887 176.091 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.833 0.349 . . . . 113.04 111.039 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.5 m -116.74 -33.38 4.84 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 113.698 0.999 . . . . 102.7 113.698 179.072 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 56.8 mt -65.45 -32.5 74.14 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.027 -0.669 . . . . 104.19 111.454 176.556 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . . . -62.51 -44.49 96.24 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.24 -0.584 . . . . 87.06 110.945 175.42 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -66.89 -34.83 78.64 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.024 -0.67 . . . . 120.54 111.81 176.922 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 54.6 mt -61.32 -46.6 96.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 C-N-CA 120.224 -0.59 . . . . 71.59 110.33 175.765 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 78.4 t -63.12 -41.48 93.0 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 O-C-N 122.053 -0.404 . . . . 70.62 110.562 179.487 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -66.57 -37.99 86.11 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.849 -0.741 . . . . 69.71 111.456 -179.503 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 58.8 mt -68.51 -36.87 79.49 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.147 -0.621 . . . . 58.71 111.14 177.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.8 -36.84 85.61 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 119.674 -0.81 . . . . 59.61 110.963 174.727 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -64.6 -41.11 96.44 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.655 -0.418 . . . . 65.9 111.241 175.572 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 40.5 mt -61.81 -38.67 88.99 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.528 -0.469 . . . . 68.61 111.099 174.825 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 85.1 mt -63.42 -41.57 93.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 120.989 0.423 . . . . 51.48 110.428 177.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 77.8 t -61.02 -43.97 97.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 O-C-N 121.918 -0.489 . . . . 49.85 110.48 176.973 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 62.2 mt -61.69 -42.88 99.52 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.44 -0.504 . . . . 62.8 111.462 178.033 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 84.2 mt -67.41 -36.61 81.62 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.528 -0.469 . . . . 56.78 111.307 -178.446 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.6 mt -68.61 -36.87 79.24 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 119.988 -0.685 . . . . 51.06 111.062 176.091 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 38.2 mt -58.35 -46.53 86.09 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.421 -0.512 . . . . 60.17 110.792 172.602 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.09 93.25 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.528 -0.469 . . . . 65.33 111.331 179.274 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 51.7 mt -63.51 -41.53 92.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 120.968 0.413 . . . . 63.94 110.5 178.293 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.14 -44.64 99.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 121.861 -0.525 . . . . 72.94 110.437 177.165 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -53.59 -48.92 68.77 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.033 0.444 . . . . 96.39 111.149 175.854 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.73 -31.06 67.77 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.596 -0.442 . . . . 87.09 111.949 -176.37 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 mt -71.22 -40.41 71.13 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.199 -0.601 . . . . 94.58 111.183 178.008 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 57.7 mtp85 . . . . . 0 C--N 1.33 -0.248 0 C-N-CA 120.718 -0.393 . . . . 116.62 110.824 176.198 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 55.1 t0 . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 118.048 -0.977 . . . . 122.5 108.627 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' C' C ' 2' ' ' SER . . . . . 0.401 ' O ' ' N ' ' C' ' 5' ' ' TRP . 74.4 m -63.68 -62.1 1.87 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 118.517 -1.273 . . . . 108.89 109.363 178.761 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 3' ' ' LEU . . . . . 0.545 HD13 HD22 ' D' ' 3' ' ' LEU . 8.6 mt -43.01 -44.8 4.87 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 117.858 -1.068 . . . . 93.96 111.623 -174.995 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . . . -57.48 -42.65 83.06 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 118.008 -0.996 . . . . 89.63 110.1 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 5' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' C' ' 2' ' ' SER . 37.8 m95 -59.15 -45.52 90.77 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 123.996 0.81 . . . . 95.59 109.315 179.904 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mt -61.09 -41.09 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 O-C-N 124.457 1.098 . . . . 74.94 109.523 -178.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.47 -40.78 90.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 119.43 -0.908 . . . . 69.96 110.301 -177.219 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 8' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -67.04 -41.97 85.62 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 123.921 0.763 . . . . 72.52 111.428 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.68 -38.05 88.17 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.869 -0.732 . . . . 63.26 111.183 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 75.6 mt -66.9 -34.45 77.8 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.236 -0.586 . . . . 57.27 111.547 176.123 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -66.43 -41.3 89.39 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 120.046 -0.662 . . . . 66.87 111.153 176.196 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 37.1 mt -60.79 -40.44 92.63 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 119.964 -0.694 . . . . 60.27 111.06 173.59 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.74 -40.84 90.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-O 120.926 0.394 . . . . 48.99 110.545 178.345 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.2 -43.33 98.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 O-C-N 121.978 -0.451 . . . . 49.24 110.541 177.979 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 35.4 mt -60.39 -45.37 93.8 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 120.484 -0.487 . . . . 70.87 111.113 177.873 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.84 -35.58 80.37 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.274 -0.57 . . . . 51.12 111.308 -178.718 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.18 -37.42 78.16 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.081 -0.647 . . . . 50.73 111.244 177.743 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.72 -43.68 97.54 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 120.272 -0.571 . . . . 64.96 111.008 172.652 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.49 -42.45 92.17 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.51 -0.476 . . . . 68.49 111.158 176.943 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 78.6 mt -64.99 -41.03 91.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 CA-C-O 120.99 0.424 . . . . 62.8 110.643 179.129 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 38.8 t -59.52 -46.92 92.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-O 121.213 0.53 . . . . 71.76 110.249 178.344 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -73.92 -25.03 59.77 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 119.565 -0.854 . . . . 80.45 112.07 -176.925 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 79.8 mt -72.44 -34.08 67.52 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 119.899 -0.72 . . . . 82.59 111.377 172.675 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.29 -36.52 68.99 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.345 -0.542 . . . . 100.44 111.542 175.143 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 116.752 -1.594 . . . . 97.31 109.38 -177.085 . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.836 0.351 . . . . 118.9 111.172 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 2' ' ' SER . . . . . 0.484 ' HB2' ' HB3' ' C' ' 3' ' ' LEU . 50.3 m -88.62 -4.59 58.53 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.985 0.735 . . . . 95.61 112.985 -179.835 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 3' ' ' LEU . . . . . 0.545 HD22 HD13 ' C' ' 3' ' ' LEU . 3.8 mm? -63.68 -34.72 78.49 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.258 -0.577 . . . . 98.0 111.321 176.644 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . . . -63.09 -43.6 98.05 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.343 -0.543 . . . . 76.06 111.064 176.302 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -65.61 -36.73 84.57 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.252 -0.579 . . . . 92.87 111.302 177.085 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.56 -44.87 99.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 120.511 -0.475 . . . . 67.41 110.28 177.829 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 81.9 t -65.32 -39.63 85.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 O-C-N 121.975 -0.453 . . . . 66.8 110.522 178.962 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 8' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.98 -45.7 93.71 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 121.909 -0.494 . . . . 65.0 111.131 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.77 -36.16 75.51 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.284 -0.566 . . . . 53.39 111.448 -178.691 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 50.5 mt -66.39 -35.92 81.55 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 119.773 -0.771 . . . . 54.48 111.132 176.032 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -64.79 -43.33 93.55 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 120.92 -0.312 . . . . 72.89 110.948 175.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 27.5 mt -60.81 -37.91 83.56 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.281 -0.568 . . . . 59.4 111.278 174.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 72.4 mt -65.19 -42.04 93.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 120.959 0.409 . . . . 47.91 110.419 179.067 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.3 -43.28 96.26 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 121.972 -0.455 . . . . 45.46 110.365 176.939 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 39.8 mt -61.63 -43.83 98.11 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.126 -0.63 . . . . 58.63 111.432 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.0 -36.13 81.49 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.363 -0.535 . . . . 51.13 111.434 -179.109 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -69.95 -36.59 75.39 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 119.836 -0.746 . . . . 52.88 111.158 178.329 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 22.8 tp -62.95 -39.93 96.14 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.875 -0.73 . . . . 61.38 110.747 172.957 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.58 -42.92 93.58 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.83 -0.348 . . . . 62.94 111.246 174.985 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 74.6 mt -64.24 -40.67 89.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.016 0.436 . . . . 58.06 110.571 178.853 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.44 -46.73 92.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-O 121.191 0.519 . . . . 65.01 110.359 177.112 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -65.81 -36.72 84.28 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.194 -0.603 . . . . 82.35 111.547 -179.444 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.32 -37.12 82.82 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.182 -0.607 . . . . 74.96 111.247 178.295 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 24' ' ' LEU . . . . . . . . . . . . . 88.8 mt -71.73 -27.32 62.92 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.295 -0.562 . . . . 85.8 111.597 176.994 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 -69.01 -53.42 20.63 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 118.353 -0.832 . . . . 112.65 109.292 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.11 -12.82 0.09 OUTLIER Glycine 0 C--N 1.337 0.628 0 O-C-N 124.657 1.223 . . . . 124.2 113.379 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' D' D ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.231 -4.544 0 O-C-N 117.959 -3.083 . . . . 103.58 . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.917 0.389 . . . . 135.42 111.505 . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -83.76 -21.0 32.36 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 112.758 0.651 . . . . 103.78 112.758 179.811 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.86 -36.93 83.46 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.279 -0.569 . . . . 94.94 111.177 179.564 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . . . -62.57 -42.37 99.5 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.302 -0.559 . . . . 87.58 111.001 176.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 5' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -66.92 -35.28 79.63 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.141 -0.624 . . . . 91.58 111.789 177.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 6' ' ' ILE . . . . . 0.577 HD13 ' H41' ' E' ' 102' ' ' C8E . 52.5 mt -63.26 -45.19 98.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 121.165 0.507 . . . . 68.79 110.218 176.352 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 75.4 t -62.7 -41.0 90.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-O 120.936 0.398 . . . . 70.8 110.488 178.532 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 8' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -63.74 -44.75 92.61 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 121.989 -0.445 . . . . 68.51 111.159 179.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 9' ' ' LEU . . . . . . . . . . . . . 86.5 mt -66.75 -36.5 82.59 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.398 -0.521 . . . . 56.63 111.211 -179.907 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 65.8 mt -66.78 -38.1 85.87 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 119.978 -0.689 . . . . 58.97 111.211 176.26 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -64.17 -40.86 97.02 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.448 -0.501 . . . . 78.59 110.971 176.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.84 -34.28 77.45 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 119.84 -0.744 . . . . 67.65 111.704 176.362 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.94 -41.24 92.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 C-N-CA 120.561 -0.456 . . . . 51.09 110.282 173.933 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.93 -43.5 95.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 O-C-N 121.993 -0.442 . . . . 54.2 110.52 176.307 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 80.8 mt -62.8 -42.76 99.85 Favored 'General case' 0 C--O 1.237 0.441 0 O-C-N 121.991 -0.443 . . . . 66.5 111.38 178.893 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.52 -37.13 84.37 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.556 -0.458 . . . . 52.34 111.358 179.646 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 57.9 mt -67.22 -36.94 82.73 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.176 -0.61 . . . . 50.76 111.113 176.34 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 78.5 mt -62.88 -39.43 94.43 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.257 -0.577 . . . . 56.15 111.006 173.872 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.64 98.86 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.453 -0.499 . . . . 56.01 111.232 176.137 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 70.2 mt -63.13 -43.1 98.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-O 120.989 0.423 . . . . 56.41 110.528 178.563 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 21' ' ' VAL . . . . . . . . . . . . . 55.1 t -64.71 -40.97 90.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 O-C-N 121.946 -0.471 . . . . 62.74 110.536 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -64.85 -39.87 94.24 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 121.913 -0.492 . . . . 88.58 111.221 178.986 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.59 -38.72 84.43 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.496 -0.482 . . . . 71.74 111.361 178.39 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 24' ' ' LEU . . . . . . . . . . . . . 75.1 mt -73.2 -29.15 62.61 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.136 -0.626 . . . . 76.94 111.866 -179.573 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 25' ' ' ARG . . . . . 0.4 ' NH2' H101 ' E' ' 103' ' ' C8E . 25.2 mtp-105 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 117.941 0.337 . . . . 99.6 110.805 177.262 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 101' ' ' C8E . . . . . 0.438 H111 ' CD1' ' A' ' 5' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 101' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 102' ' ' C8E . . . . . 0.577 ' H41' HD13 ' E' ' 6' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' E' E ' 103' ' ' C8E . . . . . 0.4 H101 ' NH2' ' E' ' 25' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' E' E ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 39.1 t70 . . . . . 0 N--CA 1.457 -0.098 0 CA-C-O 120.853 0.359 . . . . 121.7 110.702 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.0 m -88.73 -26.85 21.56 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 113.22 0.822 . . . . 93.76 113.22 -175.605 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.4 mt -67.86 -34.8 77.38 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 119.71 -0.796 . . . . 87.69 111.644 -179.704 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . . . -62.89 -42.47 99.78 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 120.018 -0.673 . . . . 97.73 110.932 174.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.438 ' CD1' H111 ' A' ' 101' ' ' C8E . 48.4 m95 -62.84 -39.58 94.8 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 120.681 -0.407 . . . . 97.0 111.246 176.085 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 51.0 mt -63.41 -45.29 98.39 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 121.089 0.471 . . . . 65.01 110.416 179.531 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 94.2 t -65.72 -39.59 85.32 Favored 'Isoleucine or valine' 0 C--O 1.237 0.442 0 O-C-N 121.945 -0.472 . . . . 64.07 110.587 -179.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -62.05 -46.66 88.16 Favored 'General case' 0 C--O 1.238 0.47 0 O-C-N 121.9 -0.5 . . . . 73.74 111.138 178.02 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.59 -37.23 84.46 Favored 'General case' 0 C--O 1.235 0.313 0 C-N-CA 120.509 -0.477 . . . . 59.68 111.351 -179.494 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 34.7 mt -66.63 -38.8 87.68 Favored 'General case' 0 C--O 1.236 0.372 0 C-N-CA 119.999 -0.68 . . . . 52.64 111.252 177.349 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -66.14 -38.72 88.83 Favored 'General case' 0 C--O 1.238 0.468 0 C-N-CA 120.187 -0.605 . . . . 67.32 110.893 177.346 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 tp -64.92 -36.79 85.5 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.29 -0.564 . . . . 53.84 111.046 175.758 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 77.5 mt -64.83 -41.55 92.49 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-O 120.986 0.422 . . . . 49.39 110.467 176.538 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.3 t -62.06 -42.3 94.44 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 O-C-N 122.017 -0.427 . . . . 52.72 110.348 177.438 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.0 mt -64.85 -40.66 95.52 Favored 'General case' 0 C--O 1.237 0.428 0 C-N-CA 120.239 -0.585 . . . . 50.34 111.406 178.752 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 85.1 mt -66.98 -37.78 84.86 Favored 'General case' 0 C--O 1.236 0.392 0 C-N-CA 120.216 -0.594 . . . . 56.51 111.369 179.254 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.5 mt -69.03 -36.47 77.78 Favored 'General case' 0 C--O 1.237 0.404 0 C-N-CA 120.082 -0.647 . . . . 47.0 111.153 177.351 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.9 mt -60.79 -40.95 94.52 Favored 'General case' 0 C--O 1.236 0.383 0 C-N-CA 120.307 -0.557 . . . . 67.13 110.892 172.352 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.19 -40.32 97.17 Favored 'General case' 0 C--O 1.235 0.32 0 C-N-CA 120.461 -0.496 . . . . 62.02 111.184 176.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 64.3 mt -65.36 -39.89 86.73 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 C-N-CA 120.641 -0.424 . . . . 61.76 110.609 179.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 69.6 t -64.52 -46.02 93.91 Favored 'Isoleucine or valine' 0 C--O 1.238 0.499 0 O-C-N 121.775 -0.578 . . . . 74.67 110.355 177.136 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 27.8 t80 -63.66 -28.79 70.15 Favored 'General case' 0 C--O 1.236 0.354 0 O-C-N 121.998 -0.439 . . . . 88.86 111.554 -179.687 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.7 tp -79.18 -36.28 40.53 Favored 'General case' 0 C--O 1.236 0.367 0 O-C-N 122.292 -0.255 . . . . 95.89 111.474 177.464 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 44.7 mt -68.0 -39.34 83.24 Favored 'General case' 0 C--O 1.236 0.369 0 C-N-CA 120.128 -0.629 . . . . 87.39 111.266 177.238 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 19.0 mtp85 . . . . . 0 C--N 1.331 -0.234 0 O-C-N 122.068 -0.395 . . . . 100.98 110.887 176.091 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.833 0.349 . . . . 113.04 111.039 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.5 m -116.74 -33.38 4.84 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 113.698 0.999 . . . . 102.7 113.698 179.072 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 56.8 mt -65.45 -32.5 74.14 Favored 'General case' 0 C--O 1.236 0.388 0 C-N-CA 120.027 -0.669 . . . . 104.19 111.454 176.556 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 4' ' ' LYS . . . . . . . . . . . . . . . -62.51 -44.49 96.24 Favored 'General case' 0 C--O 1.238 0.452 0 C-N-CA 120.24 -0.584 . . . . 87.06 110.945 175.42 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 5' ' ' TRP . . . . . . . . . . . . . 50.9 m95 -66.89 -34.83 78.64 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 120.024 -0.67 . . . . 120.54 111.81 176.922 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 6' ' ' ILE . . . . . . . . . . . . . 54.6 mt -61.32 -46.6 96.28 Favored 'Isoleucine or valine' 0 C--O 1.24 0.555 0 C-N-CA 120.224 -0.59 . . . . 71.59 110.33 175.765 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 78.4 t -63.12 -41.48 93.0 Favored 'Isoleucine or valine' 0 C--O 1.239 0.517 0 O-C-N 122.053 -0.404 . . . . 70.62 110.562 179.487 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 8' ' ' PHE . . . . . . . . . . . . . 86.8 t80 -66.57 -37.99 86.11 Favored 'General case' 0 C--O 1.236 0.382 0 C-N-CA 119.849 -0.741 . . . . 69.71 111.456 -179.503 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 58.8 mt -68.51 -36.87 79.49 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.147 -0.621 . . . . 58.71 111.14 177.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.8 -36.84 85.61 Favored 'General case' 0 C--O 1.237 0.412 0 C-N-CA 119.674 -0.81 . . . . 59.61 110.963 174.727 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 11' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -64.6 -41.11 96.44 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.655 -0.418 . . . . 65.9 111.241 175.572 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 12' ' ' LEU . . . . . . . . . . . . . 40.5 mt -61.81 -38.67 88.99 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 120.528 -0.469 . . . . 68.61 111.099 174.825 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 85.1 mt -63.42 -41.57 93.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 CA-C-O 120.989 0.423 . . . . 51.48 110.428 177.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 77.8 t -61.02 -43.97 97.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.455 0 O-C-N 121.918 -0.489 . . . . 49.85 110.48 176.973 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 62.2 mt -61.69 -42.88 99.52 Favored 'General case' 0 C--O 1.238 0.479 0 C-N-CA 120.44 -0.504 . . . . 62.8 111.462 178.033 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 84.2 mt -67.41 -36.61 81.62 Favored 'General case' 0 C--O 1.236 0.346 0 C-N-CA 120.528 -0.469 . . . . 56.78 111.307 -178.446 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 91.6 mt -68.61 -36.87 79.24 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 119.988 -0.685 . . . . 51.06 111.062 176.091 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 18' ' ' LEU . . . . . . . . . . . . . 38.2 mt -58.35 -46.53 86.09 Favored 'General case' 0 C--O 1.235 0.322 0 C-N-CA 120.421 -0.512 . . . . 60.17 110.792 172.602 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.82 -39.09 93.25 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 120.528 -0.469 . . . . 65.33 111.331 179.274 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 51.7 mt -63.51 -41.53 92.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 120.968 0.413 . . . . 63.94 110.5 178.293 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 21' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.14 -44.64 99.52 Favored 'Isoleucine or valine' 0 C--O 1.24 0.595 0 O-C-N 121.861 -0.525 . . . . 72.94 110.437 177.165 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 22' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -53.59 -48.92 68.77 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.033 0.444 . . . . 96.39 111.149 175.854 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 92.4 mt -70.73 -31.06 67.77 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 120.596 -0.442 . . . . 87.09 111.949 -176.37 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 24' ' ' LEU . . . . . . . . . . . . . 49.1 mt -71.22 -40.41 71.13 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 120.199 -0.601 . . . . 94.58 111.183 178.008 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 57.7 mtp85 . . . . . 0 C--N 1.33 -0.248 0 C-N-CA 120.718 -0.393 . . . . 116.62 110.824 176.198 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 55.1 t0 . . . . . 0 N--CA 1.485 1.29 0 CA-C-O 118.048 -0.977 . . . . 122.5 108.627 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' C' C ' 2' ' ' SER . . . . . 0.401 ' O ' ' N ' ' C' ' 5' ' ' TRP . 74.4 m -63.68 -62.1 1.87 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 118.517 -1.273 . . . . 108.89 109.363 178.761 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 3' ' ' LEU . . . . . 0.545 HD13 HD22 ' D' ' 3' ' ' LEU . 8.6 mt -43.01 -44.8 4.87 Favored 'General case' 0 N--CA 1.488 1.451 0 CA-C-O 117.858 -1.068 . . . . 93.96 111.623 -174.995 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 4' ' ' LYS . . . . . . . . . . . . . . . -57.48 -42.65 83.06 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 118.008 -0.996 . . . . 89.63 110.1 179.203 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 5' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' C' ' 2' ' ' SER . 37.8 m95 -59.15 -45.52 90.77 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 123.996 0.81 . . . . 95.59 109.315 179.904 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' C' C ' 6' ' ' ILE . . . . . . . . . . . . . 3.6 mt -61.09 -41.09 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.222 0 O-C-N 124.457 1.098 . . . . 74.94 109.523 -178.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 7' ' ' VAL . . . . . . . . . . . . . 85.5 t -64.47 -40.78 90.25 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 C-N-CA 119.43 -0.908 . . . . 69.96 110.301 -177.219 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 8' ' ' PHE . . . . . . . . . . . . . 67.8 t80 -67.04 -41.97 85.62 Favored 'General case' 0 C--O 1.24 0.584 0 O-C-N 123.921 0.763 . . . . 72.52 111.428 -179.381 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 93.6 mt -65.68 -38.05 88.17 Favored 'General case' 0 C--O 1.237 0.403 0 C-N-CA 119.869 -0.732 . . . . 63.26 111.183 178.581 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 10' ' ' LEU . . . . . . . . . . . . . 75.6 mt -66.9 -34.45 77.8 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.236 -0.586 . . . . 57.27 111.547 176.123 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 11' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -66.43 -41.3 89.39 Favored 'General case' 0 C--O 1.239 0.511 0 C-N-CA 120.046 -0.662 . . . . 66.87 111.153 176.196 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 12' ' ' LEU . . . . . . . . . . . . . 37.1 mt -60.79 -40.44 92.63 Favored 'General case' 0 C--O 1.238 0.486 0 C-N-CA 119.964 -0.694 . . . . 60.27 111.06 173.59 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 13' ' ' ILE . . . . . . . . . . . . . 82.8 mt -62.74 -40.84 90.12 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-O 120.926 0.394 . . . . 48.99 110.545 178.345 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 14' ' ' VAL . . . . . . . . . . . . . 40.0 t -63.2 -43.33 98.73 Favored 'Isoleucine or valine' 0 C--O 1.238 0.481 0 O-C-N 121.978 -0.451 . . . . 49.24 110.541 177.979 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 15' ' ' LEU . . . . . . . . . . . . . 35.4 mt -60.39 -45.37 93.8 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 120.484 -0.487 . . . . 70.87 111.113 177.873 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 16' ' ' LEU . . . . . . . . . . . . . 96.2 mt -66.84 -35.58 80.37 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.274 -0.57 . . . . 51.12 111.308 -178.718 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 64.7 mt -69.18 -37.42 78.16 Favored 'General case' 0 C--O 1.234 0.282 0 C-N-CA 120.081 -0.647 . . . . 50.73 111.244 177.743 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 18' ' ' LEU . . . . . . . . . . . . . 15.3 mt -60.72 -43.68 97.54 Favored 'General case' 0 C--O 1.239 0.527 0 C-N-CA 120.272 -0.571 . . . . 64.96 111.008 172.652 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.49 -42.45 92.17 Favored 'General case' 0 C--O 1.235 0.324 0 C-N-CA 120.51 -0.476 . . . . 68.49 111.158 176.943 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 78.6 mt -64.99 -41.03 91.03 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 CA-C-O 120.99 0.424 . . . . 62.8 110.643 179.129 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 21' ' ' VAL . . . . . . . . . . . . . 38.8 t -59.52 -46.92 92.5 Favored 'Isoleucine or valine' 0 C--O 1.237 0.415 0 CA-C-O 121.213 0.53 . . . . 71.76 110.249 178.344 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 22' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -73.92 -25.03 59.77 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 119.565 -0.854 . . . . 80.45 112.07 -176.925 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 79.8 mt -72.44 -34.08 67.52 Favored 'General case' 0 C--O 1.237 0.408 0 C-N-CA 119.899 -0.72 . . . . 82.59 111.377 172.675 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 24' ' ' LEU . . . . . . . . . . . . . 8.1 mp -72.29 -36.52 68.99 Favored 'General case' 0 C--O 1.236 0.385 0 C-N-CA 120.345 -0.542 . . . . 100.44 111.542 175.143 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' C' C ' 25' ' ' ARG . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.335 0 CA-C-O 116.752 -1.594 . . . . 97.31 109.38 -177.085 . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 p30 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.836 0.351 . . . . 118.9 111.172 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 2' ' ' SER . . . . . 0.484 ' HB2' ' HB3' ' C' ' 3' ' ' LEU . 50.3 m -88.62 -4.59 58.53 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 112.985 0.735 . . . . 95.61 112.985 -179.835 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 3' ' ' LEU . . . . . 0.545 HD22 HD13 ' C' ' 3' ' ' LEU . 3.8 mm? -63.68 -34.72 78.49 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 120.258 -0.577 . . . . 98.0 111.321 176.644 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' D' D ' 4' ' ' LYS . . . . . . . . . . . . . . . -63.09 -43.6 98.05 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 120.343 -0.543 . . . . 76.06 111.064 176.302 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 82.3 m95 -65.61 -36.73 84.57 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.252 -0.579 . . . . 92.87 111.302 177.085 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 6' ' ' ILE . . . . . . . . . . . . . 78.3 mt -62.56 -44.87 99.75 Favored 'Isoleucine or valine' 0 C--O 1.237 0.447 0 C-N-CA 120.511 -0.475 . . . . 67.41 110.28 177.829 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 7' ' ' VAL . . . . . . . . . . . . . 81.9 t -65.32 -39.63 85.93 Favored 'Isoleucine or valine' 0 C--O 1.237 0.413 0 O-C-N 121.975 -0.453 . . . . 66.8 110.522 178.962 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 8' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.98 -45.7 93.71 Favored 'General case' 0 C--O 1.24 0.58 0 O-C-N 121.909 -0.494 . . . . 65.0 111.131 178.217 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 94.7 mt -69.77 -36.16 75.51 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.284 -0.566 . . . . 53.39 111.448 -178.691 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 10' ' ' LEU . . . . . . . . . . . . . 50.5 mt -66.39 -35.92 81.55 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 119.773 -0.771 . . . . 54.48 111.132 176.032 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 11' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -64.79 -43.33 93.55 Favored 'General case' 0 C--O 1.24 0.589 0 C-N-CA 120.92 -0.312 . . . . 72.89 110.948 175.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 12' ' ' LEU . . . . . . . . . . . . . 27.5 mt -60.81 -37.91 83.56 Favored 'General case' 0 C--O 1.237 0.435 0 C-N-CA 120.281 -0.568 . . . . 59.4 111.278 174.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 13' ' ' ILE . . . . . . . . . . . . . 72.4 mt -65.19 -42.04 93.15 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 120.959 0.409 . . . . 47.91 110.419 179.067 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 14' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.3 -43.28 96.26 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 121.972 -0.455 . . . . 45.46 110.365 176.939 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 15' ' ' LEU . . . . . . . . . . . . . 39.8 mt -61.63 -43.83 98.11 Favored 'General case' 0 C--O 1.237 0.42 0 C-N-CA 120.126 -0.63 . . . . 58.63 111.432 178.166 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 16' ' ' LEU . . . . . . . . . . . . . 83.5 mt -67.0 -36.13 81.49 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.363 -0.535 . . . . 51.13 111.434 -179.109 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 45.7 mt -69.95 -36.59 75.39 Favored 'General case' 0 C--O 1.236 0.376 0 C-N-CA 119.836 -0.746 . . . . 52.88 111.158 178.329 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 18' ' ' LEU . . . . . . . . . . . . . 22.8 tp -62.95 -39.93 96.14 Favored 'General case' 0 C--O 1.238 0.474 0 C-N-CA 119.875 -0.73 . . . . 61.38 110.747 172.957 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.58 -42.92 93.58 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.83 -0.348 . . . . 62.94 111.246 174.985 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 74.6 mt -64.24 -40.67 89.87 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 CA-C-O 121.016 0.436 . . . . 58.06 110.571 178.853 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 21' ' ' VAL . . . . . . . . . . . . . 42.5 t -59.44 -46.73 92.51 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-O 121.191 0.519 . . . . 65.01 110.359 177.112 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 22' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -65.81 -36.72 84.28 Favored 'General case' 0 C--O 1.236 0.362 0 C-N-CA 120.194 -0.603 . . . . 82.35 111.547 -179.444 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 86.6 mt -67.32 -37.12 82.82 Favored 'General case' 0 C--O 1.237 0.407 0 C-N-CA 120.182 -0.607 . . . . 74.96 111.247 178.295 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 24' ' ' LEU . . . . . . . . . . . . . 88.8 mt -71.73 -27.32 62.92 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 120.295 -0.562 . . . . 85.8 111.597 176.994 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 25' ' ' ARG . . . . . . . . . . . . . 15.9 ttt-85 -69.01 -53.42 20.63 Favored 'General case' 0 N--CA 1.488 1.463 0 CA-C-O 118.353 -0.832 . . . . 112.65 109.292 179.442 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 26' ' ' GLY . . . . . . . . . . . . . . . -151.11 -12.82 0.09 OUTLIER Glycine 0 C--N 1.337 0.628 0 O-C-N 124.657 1.223 . . . . 124.2 113.379 -179.928 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' D' D ' 27' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 1 C--N 1.231 -4.544 0 O-C-N 117.959 -3.083 . . . . 103.58 . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 28.4 p-10 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.917 0.389 . . . . 135.42 111.505 . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 2' ' ' SER . . . . . . . . . . . . . 58.5 m -83.76 -21.0 32.36 Favored 'General case' 0 C--O 1.235 0.324 0 N-CA-C 112.758 0.651 . . . . 103.78 112.758 179.811 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 3' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.86 -36.93 83.46 Favored 'General case' 0 C--O 1.237 0.432 0 C-N-CA 120.279 -0.569 . . . . 94.94 111.177 179.564 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 4' ' ' LYS . . . . . . . . . . . . . . . -62.57 -42.37 99.5 Favored 'General case' 0 C--O 1.237 0.445 0 C-N-CA 120.302 -0.559 . . . . 87.58 111.001 176.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 5' ' ' TRP . . . . . . . . . . . . . 48.0 m95 -66.92 -35.28 79.63 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 120.141 -0.624 . . . . 91.58 111.789 177.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 6' ' ' ILE . . . . . 0.577 HD13 ' H41' ' E' ' 102' ' ' C8E . 52.5 mt -63.26 -45.19 98.98 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 121.165 0.507 . . . . 68.79 110.218 176.352 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' E' E ' 7' ' ' VAL . . . . . . . . . . . . . 75.4 t -62.7 -41.0 90.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-O 120.936 0.398 . . . . 70.8 110.488 178.532 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 8' ' ' PHE . . . . . . . . . . . . . 92.2 t80 -63.74 -44.75 92.61 Favored 'General case' 0 C--O 1.239 0.528 0 O-C-N 121.989 -0.445 . . . . 68.51 111.159 179.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 9' ' ' LEU . . . . . . . . . . . . . 86.5 mt -66.75 -36.5 82.59 Favored 'General case' 0 C--O 1.235 0.331 0 C-N-CA 120.398 -0.521 . . . . 56.63 111.211 -179.907 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 10' ' ' LEU . . . . . . . . . . . . . 65.8 mt -66.78 -38.1 85.87 Favored 'General case' 0 C--O 1.238 0.451 0 C-N-CA 119.978 -0.689 . . . . 58.97 111.211 176.26 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 11' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -64.17 -40.86 97.02 Favored 'General case' 0 C--O 1.238 0.45 0 C-N-CA 120.448 -0.501 . . . . 78.59 110.971 176.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.84 -34.28 77.45 Favored 'General case' 0 C--O 1.235 0.329 0 C-N-CA 119.84 -0.744 . . . . 67.65 111.704 176.362 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 13' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.94 -41.24 92.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.417 0 C-N-CA 120.561 -0.456 . . . . 51.09 110.282 173.933 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 14' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.93 -43.5 95.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 O-C-N 121.993 -0.442 . . . . 54.2 110.52 176.307 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 15' ' ' LEU . . . . . . . . . . . . . 80.8 mt -62.8 -42.76 99.85 Favored 'General case' 0 C--O 1.237 0.441 0 O-C-N 121.991 -0.443 . . . . 66.5 111.38 178.893 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 16' ' ' LEU . . . . . . . . . . . . . 82.9 mt -66.52 -37.13 84.37 Favored 'General case' 0 C--O 1.235 0.341 0 C-N-CA 120.556 -0.458 . . . . 52.34 111.358 179.646 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 57.9 mt -67.22 -36.94 82.73 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 120.176 -0.61 . . . . 50.76 111.113 176.34 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 18' ' ' LEU . . . . . . . . . . . . . 78.5 mt -62.88 -39.43 94.43 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.257 -0.577 . . . . 56.15 111.006 173.872 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 19' ' ' ALA . . . . . . . . . . . . . . . -63.35 -41.64 98.86 Favored 'General case' 0 C--O 1.236 0.393 0 C-N-CA 120.453 -0.499 . . . . 56.01 111.232 176.137 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 70.2 mt -63.13 -43.1 98.71 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-O 120.989 0.423 . . . . 56.41 110.528 178.563 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 21' ' ' VAL . . . . . . . . . . . . . 55.1 t -64.71 -40.97 90.89 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 O-C-N 121.946 -0.471 . . . . 62.74 110.536 179.471 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 22' ' ' PHE . . . . . . . . . . . . . 90.2 t80 -64.85 -39.87 94.24 Favored 'General case' 0 C--O 1.237 0.427 0 O-C-N 121.913 -0.492 . . . . 88.58 111.221 178.986 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 85.7 mt -67.59 -38.72 84.43 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.496 -0.482 . . . . 71.74 111.361 178.39 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 24' ' ' LEU . . . . . . . . . . . . . 75.1 mt -73.2 -29.15 62.61 Favored 'General case' 0 C--O 1.236 0.361 0 C-N-CA 120.136 -0.626 . . . . 76.94 111.866 -179.573 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 25' ' ' ARG . . . . . 0.4 ' NH2' H101 ' E' ' 103' ' ' C8E . 25.2 mtp-105 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 117.941 0.337 . . . . 99.6 110.805 177.262 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' C8E . . . . . 0.438 H111 ' CD1' ' A' ' 5' ' ' TRP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 101' ' ' C8E . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 102' ' ' C8E . . . . . 0.577 ' H41' HD13 ' E' ' 6' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' E' E ' 103' ' ' C8E . . . . . 0.4 H101 ' NH2' ' E' ' 25' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' B' B ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 101' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' D' D ' 102' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' E' E ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_